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	hartrees
Energy at 0K	-303.986744
Energy at 298.15K	-303.992373
Nuclear repulsion energy	180.516046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3740	3557	66.74
2	A	3707	3526	78.74
3	A	3069	2919	24.57
4	A	3041	2892	29.19
5	A	1873	1781	277.42
6	A	1527	1452	4.72
7	A	1511	1437	19.22
8	A	1396	1328	166.02
9	A	1322	1257	19.90
10	A	1258	1196	0.82
11	A	1216	1157	141.34
12	A	1163	1106	210.42
13	A	1054	1003	1.55
14	A	881	838	42.61
15	A	681	648	145.83
16	A	660	627	19.20
17	A	512	487	3.31
18	A	480	456	28.97
19	A	332	316	82.69
20	A	291	276	8.76
21	A	74	71	14.40

Atom	x (Å)	y (Å)	z (Å)
C1	-0.741	-0.750	0.004
C2	0.511	0.091	0.000
O3	1.634	-0.635	-0.002
O4	0.489	1.301	0.001
O5	-1.875	0.059	-0.005
H6	-0.713	-1.412	-0.874
H7	-0.714	-1.401	0.891
H8	-1.547	0.974	0.007
H9	2.375	-0.006	-0.003

	C1	C2	O3	O4	O5	H6	H7	H8	H9
C1		1.5087	2.3776	2.3915	1.3927	1.1004	1.1008	1.9030	3.2040
C2	1.5087		1.3368	1.2103	2.3867	2.1272	2.1260	2.2396	1.8662
O3	2.3776	1.3368		2.2495	3.5767	2.6214	2.6255	3.5644	0.9729
O4	2.3915	1.2103	2.2495		2.6704	3.0944	3.0882	2.0615	2.2946
O5	1.3927	2.3867	3.5767	2.6704		2.0668	2.0691	0.9727	4.2507
H6	1.1004	2.1272	2.6214	3.0944	2.0668		1.7653	2.6774	3.5037
H7	1.1008	2.1260	2.6255	3.0882	2.0691	1.7653		2.6676	3.5052
H8	1.9030	2.2396	3.5644	2.0615	0.9727	2.6774	2.6676		4.0423
H9	3.2040	1.8662	0.9729	2.2946	4.2507	3.5037	3.5052	4.0423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.213	C1	C2	O4	122.800
C1	O5	H8	105.755	C2	C1	O5	110.630
C2	C1	H6	108.214	C2	C1	H7	108.098
C2	O3	H9	106.737	O3	C2	O4	123.987
O5	C1	H6	111.459	O5	C1	H7	111.620
H6	C1	H7	106.644

All results from a given calculation for HOCH₂COOH (Hydroxyacetic acid)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.121
2	C	0.539
3	O	-0.565
4	O	-0.472
5	O	-0.633
6	H	0.195
7	H	0.195
8	H	0.428
9	H	0.435

	x	y	z	Total
	2.328	-0.767	0.023	2.451
CHELPG
AIM
ESP

	x	y	z
x	5.084	-0.109	-0.001
y	-0.109	5.080	0.000
z	-0.001	0.000	2.972

<r²>	109.942
(<r²>)^1/2	10.485

All results from a given calculation for HOCH2COOH (Hydroxyacetic acid)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for HOCH₂COOH (Hydroxyacetic acid)